1-[6-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]hexyl]-3-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;N-[4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]cyclohexyl]-7-[[2-[[2-(2,4-dioxocycloheptyl)-1-oxo-3H-isoindol-4-yl]amino]-2-oxoethyl]amino]heptanamide;1-[6-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoropyrimidin-2-yl]amino]cyclohexyl]amino]hexyl]-3-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;bis(2-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]-N-[5-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylcarbamoylamino]pentyl]acetamide);bis(1-[8-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]octyl]-3-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea)

C276H372Cl2FN69O31S6 — CID 164955141

About 1-[6-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]hexyl]-3-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;N-[4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]cyclohexyl]-7-[[2-[[2-(2,4-dioxocycloheptyl)-1-oxo-3H-isoindol-4-yl]amino]-2-oxoethyl]amino]heptanamide;1-[6-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoropyrimidin-2-yl]amino]cyclohexyl]amino]hexyl]-3-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;bis(2-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]-N-[5-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylcarbamoylamino]pentyl]acetamide);bis(1-[8-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]octyl]-3-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea)

1-[6-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]hexyl]-3-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;N-[4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]cyclohexyl]-7-[[2-[[2-(2,4-dioxocycloheptyl)-1-oxo-3H-isoindol-4-yl]amino]-2-oxoethyl]amino]heptanamide;1-[6-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoropyrimidin-2-yl]amino]cyclohexyl]amino]hexyl]-3-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;bis(2-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]-N-[5-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylcarbamoylamino]pentyl]acetamide);bis(1-[8-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]octyl]-3-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea) (PubChem CID 164955141) has the molecular formula C276H372Cl2FN69O31S6 and a molecular weight of 5434.77 g/mol. Its IUPAC name is 1-[6-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]hexyl]-3-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;N-[4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]cyclohexyl]-7-[[2-[[2-(2,4-dioxocycloheptyl)-1-oxo-3H-isoindol-4-yl]amino]-2-oxoethyl]amino]heptanamide;1-[6-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoropyrimidin-2-yl]amino]cyclohexyl]amino]hexyl]-3-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;bis(2-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]-N-[5-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylcarbamoylamino]pentyl]acetamide);bis(1-[8-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]octyl]-3-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea).

Molecular Properties

• Compound Name: 1-[6-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]hexyl]-3-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;N-[4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]cyclohexyl]-7-[[2-[[2-(2,4-dioxocycloheptyl)-1-oxo-3H-isoindol-4-yl]amino]-2-oxoethyl]amino]heptanamide;1-[6-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoropyrimidin-2-yl]amino]cyclohexyl]amino]hexyl]-3-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;bis(2-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]-N-[5-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylcarbamoylamino]pentyl]acetamide);bis(1-[8-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]octyl]-3-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea)
• PubChem CID: 164955141
• Molecular Formula: C276H372Cl2FN69O31S6
• Molecular Weight: 5434.77 g/mol
• Exact Mass: 5429.73
• IUPAC Name: 1-[6-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]hexyl]-3-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;N-[4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]cyclohexyl]-7-[[2-[[2-(2,4-dioxocycloheptyl)-1-oxo-3H-isoindol-4-yl]amino]-2-oxoethyl]amino]heptanamide;1-[6-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoropyrimidin-2-yl]amino]cyclohexyl]amino]hexyl]-3-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;bis(2-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]-N-[5-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylcarbamoylamino]pentyl]acetamide);bis(1-[8-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]octyl]-3-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea)
• SMILES: Cc1cnc(NC2CCC(NCC(=O)NCCCCCNC(=O)NCc3cc4c(s3)C(=O)N(C3CCC(=O)NC3=O)C4)CC2)nc1-c1cnn(C)c1CC1CC1.Cc1cnc(NC2CCC(NCC(=O)NCCCCCNC(=O)NCc3cc4c(s3)C(=O)N(C3CCC(=O)NC3=O)C4)CC2)nc1-c1cnn(C)c1CC1CC1.Cc1cnc(NC2CCC(NCCCCCCCCNC(=O)NCc3cc4c(s3)C(=O)N(C3CCC(=O)NC3=O)C4)CC2)nc1-c1cnn(C)c1CC1CC1.Cc1cnc(NC2CCC(NCCCCCCCCNC(=O)NCc3cc4c(s3)C(=O)N(C3CCC(=O)NC3=O)C4)CC2)nc1-c1cnn(C)c1CC1CC1.Cn1ccc(-c2nc(CC3CCC(NC(=O)CCCCCCNCC(=O)Nc4cccc5c4CN(C4CCCC(=O)CC4=O)C5=O)CC3)ncc2Cl)c1CC1CC1.Cn1ncc(-c2nc(NC3CCC(NCCCCCCNC(=O)NCc4cc5c(s4)C(=O)N(C4CCC(=O)NC4=O)C5)CC3)ncc2Cl)c1CC1CC1.Cn1ncc(-c2nc(NC3CCC(NCCCCCCNC(=O)NCc4cc5c(s4)C(=O)N(C4CCC(=O)NC4=O)C5)CC3)ncc2F)c1CC1CC1
• InChI: InChI=1S/C44H56ClN7O5.2C40H56N10O4S.2C39H53N11O5S.C37H49ClN10O4S.C37H49FN10O4S/c1-51-21-19-33(38(51)22-28-13-14-28)43-35(45)25-47-40(50-43)23-29-15-17-30(18-16-29)48-41(55)12-4-2-3-5-20-46-26-42(56)49-36-10-7-9-32-34(36)27-52(44(32)57)37-11-6-8-31(53)24-39(37)54;2*1-25-21-43-39(48-35(25)31-23-45-49(2)33(31)19-26-9-10-26)46-29-13-11-28(12-14-29)41-17-7-5-3-4-6-8-18-42-40(54)44-22-30-20-27-24-50(38(53)36(27)55-30)32-15-16-34(51)47-37(32)52;2*1-23-18-43-38(48-34(23)29-20-45-49(2)31(29)16-24-6-7-24)46-27-10-8-26(9-11-27)42-21-33(52)40-14-4-3-5-15-41-39(55)44-19-28-17-25-22-50(37(54)35(25)56-28)30-12-13-32(51)47-36(30)53;2*1-47-30(16-22-6-7-22)27(19-43-47)32-28(38)20-41-36(46-32)44-25-10-8-24(9-11-25)39-14-4-2-3-5-15-40-37(52)42-18-26-17-23-21-48(35(51)33(23)53-26)29-12-13-31(49)45-34(29)50/h7,9-10,19,21,25,28-30,37,46H,2-6,8,11-18,20,22-24,26-27H2,1H3,(H,48,55)(H,49,56);2*20-21,23,26,28-29,32,41H,3-19,22,24H2,1-2H3,(H2,42,44,54)(H,43,46,48)(H,47,51,52);2*17-18,20,24,26-27,30,42H,3-16,19,21-22H2,1-2H3,(H,40,52)(H2,41,44,55)(H,43,46,48)(H,47,51,53);2*17,19-20,22,24-25,29,39H,2-16,18,21H2,1H3,(H2,40,42,52)(H,41,44,46)(H,45,49,50)
• InChIKey: BBLGCDVKKWRFHM-UHFFFAOYSA-N
• XLogP: 31.71
• TPSA: 1265.21 Ų
• H-Bond Donors: 35
• H-Bond Acceptors: 77
• Rotatable Bonds: 119
• Heavy Atoms: 385
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	5434.77
LogP ≤ 5	31.71
H-Bond Donors ≤ 5	35
H-Bond Acceptors ≤ 10	77

Frequently Asked Questions

What is the IUPAC name of 1-[6-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]hexyl]-3-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;N-[4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]cyclohexyl]-7-[[2-[[2-(2,4-dioxocycloheptyl)-1-oxo-3H-isoindol-4-yl]amino]-2-oxoethyl]amino]heptanamide;1-[6-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoropyrimidin-2-yl]amino]cyclohexyl]amino]hexyl]-3-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;bis(2-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]-N-[5-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylcarbamoylamino]pentyl]acetamide);bis(1-[8-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]octyl]-3-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea)?

The IUPAC name of 1-[6-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]hexyl]-3-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;N-[4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]cyclohexyl]-7-[[2-[[2-(2,4-dioxocycloheptyl)-1-oxo-3H-isoindol-4-yl]amino]-2-oxoethyl]amino]heptanamide;1-[6-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoropyrimidin-2-yl]amino]cyclohexyl]amino]hexyl]-3-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;bis(2-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]-N-[5-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylcarbamoylamino]pentyl]acetamide);bis(1-[8-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]octyl]-3-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea) (CID 164955141) is 1-[6-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]hexyl]-3-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;N-[4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]cyclohexyl]-7-[[2-[[2-(2,4-dioxocycloheptyl)-1-oxo-3H-isoindol-4-yl]amino]-2-oxoethyl]amino]heptanamide;1-[6-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoropyrimidin-2-yl]amino]cyclohexyl]amino]hexyl]-3-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;bis(2-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]-N-[5-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylcarbamoylamino]pentyl]acetamide);bis(1-[8-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]octyl]-3-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea).

What is the SMILES notation for 1-[6-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]hexyl]-3-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;N-[4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]cyclohexyl]-7-[[2-[[2-(2,4-dioxocycloheptyl)-1-oxo-3H-isoindol-4-yl]amino]-2-oxoethyl]amino]heptanamide;1-[6-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoropyrimidin-2-yl]amino]cyclohexyl]amino]hexyl]-3-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;bis(2-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]-N-[5-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylcarbamoylamino]pentyl]acetamide);bis(1-[8-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]octyl]-3-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea)?

The canonical SMILES for 1-[6-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]hexyl]-3-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;N-[4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]cyclohexyl]-7-[[2-[[2-(2,4-dioxocycloheptyl)-1-oxo-3H-isoindol-4-yl]amino]-2-oxoethyl]amino]heptanamide;1-[6-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoropyrimidin-2-yl]amino]cyclohexyl]amino]hexyl]-3-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;bis(2-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]-N-[5-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylcarbamoylamino]pentyl]acetamide);bis(1-[8-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]octyl]-3-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea) is Cc1cnc(NC2CCC(NCC(=O)NCCCCCNC(=O)NCc3cc4c(s3)C(=O)N(C3CCC(=O)NC3=O)C4)CC2)nc1-c1cnn(C)c1CC1CC1.Cc1cnc(NC2CCC(NCC(=O)NCCCCCNC(=O)NCc3cc4c(s3)C(=O)N(C3CCC(=O)NC3=O)C4)CC2)nc1-c1cnn(C)c1CC1CC1.Cc1cnc(NC2CCC(NCCCCCCCCNC(=O)NCc3cc4c(s3)C(=O)N(C3CCC(=O)NC3=O)C4)CC2)nc1-c1cnn(C)c1CC1CC1.Cc1cnc(NC2CCC(NCCCCCCCCNC(=O)NCc3cc4c(s3)C(=O)N(C3CCC(=O)NC3=O)C4)CC2)nc1-c1cnn(C)c1CC1CC1.Cn1ccc(-c2nc(CC3CCC(NC(=O)CCCCCCNCC(=O)Nc4cccc5c4CN(C4CCCC(=O)CC4=O)C5=O)CC3)ncc2Cl)c1CC1CC1.Cn1ncc(-c2nc(NC3CCC(NCCCCCCNC(=O)NCc4cc5c(s4)C(=O)N(C4CCC(=O)NC4=O)C5)CC3)ncc2Cl)c1CC1CC1.Cn1ncc(-c2nc(NC3CCC(NCCCCCCNC(=O)NCc4cc5c(s4)C(=O)N(C4CCC(=O)NC4=O)C5)CC3)ncc2F)c1CC1CC1.

What is the InChIKey of 1-[6-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]hexyl]-3-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;N-[4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]cyclohexyl]-7-[[2-[[2-(2,4-dioxocycloheptyl)-1-oxo-3H-isoindol-4-yl]amino]-2-oxoethyl]amino]heptanamide;1-[6-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoropyrimidin-2-yl]amino]cyclohexyl]amino]hexyl]-3-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;bis(2-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]-N-[5-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylcarbamoylamino]pentyl]acetamide);bis(1-[8-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]octyl]-3-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea)?

The InChIKey is BBLGCDVKKWRFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H56ClN7O5.2C40H56N10O4S.2C39H53N11O5S.C37H49ClN10O4S.C37H49FN10O4S/c1-51-21-19-33(38(51)22-28-13-14-28)43-35(45)25-47-40(50-43)23-29-15-17-30(18-16-29)48-41(55)12-4-2-3-5-20-46-26-42(56)49-36-10-7-9-32-34(36)27-52(44(32)57)37-11-6-8-31(53)24-39(37)54;2*1-25-21-43-39(48-35(25)31-23-45-49(2)33(31)19-26-9-10-26)46-29-13-11-28(12-14-29)41-17-7-5-3-4-6-8-18-42-40(54)44-22-30-20-27-24-50(38(53)36(27)55-30)32-15-16-34(51)47-37(32)52;2*1-23-18-43-38(48-34(23)29-20-45-49(2)31(29)16-24-6-7-24)46-27-10-8-26(9-11-27)42-21-33(52)40-14-4-3-5-15-41-39(55)44-19-28-17-25-22-50(37(54)35(25)56-28)30-12-13-32(51)47-36(30)53;2*1-47-30(16-22-6-7-22)27(19-43-47)32-28(38)20-41-36(46-32)44-25-10-8-24(9-11-25)39-14-4-2-3-5-15-40-37(52)42-18-26-17-23-21-48(35(51)33(23)53-26)29-12-13-31(49)45-34(29)50/h7,9-10,19,21,25,28-30,37,46H,2-6,8,11-18,20,22-24,26-27H2,1H3,(H,48,55)(H,49,56);2*20-21,23,26,28-29,32,41H,3-19,22,24H2,1-2H3,(H2,42,44,54)(H,43,46,48)(H,47,51,52);2*17-18,20,24,26-27,30,42H,3-16,19,21-22H2,1-2H3,(H,40,52)(H2,41,44,55)(H,43,46,48)(H,47,51,53);2*17,19-20,22,24-25,29,39H,2-16,18,21H2,1H3,(H2,40,42,52)(H,41,44,46)(H,45,49,50).

What are the key properties of 1-[6-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]hexyl]-3-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;N-[4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]cyclohexyl]-7-[[2-[[2-(2,4-dioxocycloheptyl)-1-oxo-3H-isoindol-4-yl]amino]-2-oxoethyl]amino]heptanamide;1-[6-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoropyrimidin-2-yl]amino]cyclohexyl]amino]hexyl]-3-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;bis(2-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]-N-[5-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylcarbamoylamino]pentyl]acetamide);bis(1-[8-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]octyl]-3-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea)?

1-[6-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]hexyl]-3-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;N-[4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]cyclohexyl]-7-[[2-[[2-(2,4-dioxocycloheptyl)-1-oxo-3H-isoindol-4-yl]amino]-2-oxoethyl]amino]heptanamide;1-[6-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoropyrimidin-2-yl]amino]cyclohexyl]amino]hexyl]-3-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;bis(2-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]-N-[5-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylcarbamoylamino]pentyl]acetamide);bis(1-[8-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]octyl]-3-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea) has a molecular weight of 5434.77 g/mol, XLogP of 31.71, 119 rotatable bonds, 35 hydrogen bond donors, and 77 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-[[4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]hexyl]-3-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;N-[4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]cyclohexyl]-7-[[2-[[2-(2,4-dioxocycloheptyl)-1-oxo-3H-isoindol-4-yl]amino]-2-oxoethyl]amino]heptanamide;1-[6-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoropyrimidin-2-yl]amino]cyclohexyl]amino]hexyl]-3-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;bis(2-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]-N-[5-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylcarbamoylamino]pentyl]acetamide);bis(1-[8-[[4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-methylpyrimidin-2-yl]amino]cyclohexyl]amino]octyl]-3-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea) is sourced from PubChem (CID 164955141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).