(12R)-5-anilino-8,12-dimethyl-4-[(4-phenylphenyl)methyl]-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one;(11R,15S)-5-anilino-8-methyl-4-[(4-methylphenyl)methyl]-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R)-5-anilino-8-methyl-4-[(4-phenylphenyl)methyl]-11-propan-2-yl-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one;(11R,15S)-5-anilino-8-methyl-3-[(4-pyridin-2-ylphenyl)methyl]-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2(6),4,9-trien-7-one

C112H109N25O4 — CID 157345391

IUPAC(12R)-5-anilino-8,12-dimethyl-4-[(4-phenylphenyl)methyl]-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one;(11R,15S)-5-anilino-8-methyl-4-[(4-methylphenyl)methyl]-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R)-5-anilino-8-methyl-4-[(4-phenylphenyl)methyl]-11-propan-2-yl-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one;(11R,15S)-5-anilino-8-methyl-3-[(4-pyridin-2-ylphenyl)methyl]-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2(6),4,9-trien-7-one
SMILESCC(C)[C@@H]1CN2C(=N1)N(C)C(=O)c1c2nn(Cc2ccc(-c3ccccc3)cc2)c1Nc1ccccc1.CN1C(=O)c2c(Nc3ccccc3)nn(Cc3ccc(-c4ccccn4)cc3)c2N2C1=N[C@@H]1CCC[C@@H]12.C[C@@H]1CN=C2N(C)C(=O)c3c(nn(Cc4ccc(-c5ccccc5)cc4)c3Nc3ccccc3)N21.Cc1ccc(Cn2nc3c(c2Nc2ccccc2)C(=O)N(C)C2=N[C@@H]4CCC[C@@H]4N23)cc1
InChIInChI=1S/C30H30N6O.C29H27N7O.C28H26N6O.C25H26N6O/c1-20(2)25-19-35-28-26(29(37)34(3)30(35)32-25)27(31-24-12-8-5-9-13-24)36(33-28)18-21-14-16-23(17-15-21)22-10-6-4-7-11-22;1-34-28(37)25-26(31-21-8-3-2-4-9-21)33-35(27(25)36-24-12-7-11-23(24)32-29(34)36)18-19-13-15-20(16-14-19)22-10-5-6-17-30-22;1-19-17-29-28-32(2)27(35)24-25(30-23-11-7-4-8-12-23)33(31-26(24)34(19)28)18-20-13-15-22(16-14-20)21-9-5-3-6-10-21;1-16-11-13-17(14-12-16)15-30-22(26-18-7-4-3-5-8-18)21-23(28-30)31-20-10-6-9-19(20)27-25(31)29(2)24(21)32/h4-17,20,25,31H,18-19H2,1-3H3;2-6,8-10,13-17,23-24H,7,11-12,18H2,1H3,(H,31,33);3-16,19,30H,17-18H2,1-2H3;3-5,7-8,11-14,19-20,26H,6,9-10,15H2,1-2H3/t25-;23-,24+;19-;19-,20+/m0111/s1
InChIKeyBGXBXMOVGQOHBM-CVHWNQQBSA-N
MW1869.27 g/mol
LogP19.71
Rot. Bonds20

About (12R)-5-anilino-8,12-dimethyl-4-[(4-phenylphenyl)methyl]-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one;(11R,15S)-5-anilino-8-methyl-4-[(4-methylphenyl)methyl]-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R)-5-anilino-8-methyl-4-[(4-phenylphenyl)methyl]-11-propan-2-yl-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one;(11R,15S)-5-anilino-8-methyl-3-[(4-pyridin-2-ylphenyl)methyl]-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2(6),4,9-trien-7-one

(12R)-5-anilino-8,12-dimethyl-4-[(4-phenylphenyl)methyl]-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one;(11R,15S)-5-anilino-8-methyl-4-[(4-methylphenyl)methyl]-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R)-5-anilino-8-methyl-4-[(4-phenylphenyl)methyl]-11-propan-2-yl-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one;(11R,15S)-5-anilino-8-methyl-3-[(4-pyridin-2-ylphenyl)methyl]-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2(6),4,9-trien-7-one (PubChem CID 157345391) has the molecular formula C112H109N25O4 and a molecular weight of 1869.27 g/mol. Its IUPAC name is (12R)-5-anilino-8,12-dimethyl-4-[(4-phenylphenyl)methyl]-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one;(11R,15S)-5-anilino-8-methyl-4-[(4-methylphenyl)methyl]-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R)-5-anilino-8-methyl-4-[(4-phenylphenyl)methyl]-11-propan-2-yl-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one;(11R,15S)-5-anilino-8-methyl-3-[(4-pyridin-2-ylphenyl)methyl]-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2(6),4,9-trien-7-one.

Molecular Properties

Compound Name(12R)-5-anilino-8,12-dimethyl-4-[(4-phenylphenyl)methyl]-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one;(11R,15S)-5-anilino-8-methyl-4-[(4-methylphenyl)methyl]-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R)-5-anilino-8-methyl-4-[(4-phenylphenyl)methyl]-11-propan-2-yl-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one;(11R,15S)-5-anilino-8-methyl-3-[(4-pyridin-2-ylphenyl)methyl]-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2(6),4,9-trien-7-one
PubChem CID157345391
Molecular FormulaC112H109N25O4
Molecular Weight1869.27 g/mol
Exact Mass1867.91
IUPAC Name(12R)-5-anilino-8,12-dimethyl-4-[(4-phenylphenyl)methyl]-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one;(11R,15S)-5-anilino-8-methyl-4-[(4-methylphenyl)methyl]-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R)-5-anilino-8-methyl-4-[(4-phenylphenyl)methyl]-11-propan-2-yl-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one;(11R,15S)-5-anilino-8-methyl-3-[(4-pyridin-2-ylphenyl)methyl]-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2(6),4,9-trien-7-one
SMILESCC(C)[C@@H]1CN2C(=N1)N(C)C(=O)c1c2nn(Cc2ccc(-c3ccccc3)cc2)c1Nc1ccccc1.CN1C(=O)c2c(Nc3ccccc3)nn(Cc3ccc(-c4ccccn4)cc3)c2N2C1=N[C@@H]1CCC[C@@H]12.C[C@@H]1CN=C2N(C)C(=O)c3c(nn(Cc4ccc(-c5ccccc5)cc4)c3Nc3ccccc3)N21.Cc1ccc(Cn2nc3c(c2Nc2ccccc2)C(=O)N(C)C2=N[C@@H]4CCC[C@@H]4N23)cc1
InChIInChI=1S/C30H30N6O.C29H27N7O.C28H26N6O.C25H26N6O/c1-20(2)25-19-35-28-26(29(37)34(3)30(35)32-25)27(31-24-12-8-5-9-13-24)36(33-28)18-21-14-16-23(17-15-21)22-10-6-4-7-11-22;1-34-28(37)25-26(31-21-8-3-2-4-9-21)33-35(27(25)36-24-12-7-11-23(24)32-29(34)36)18-19-13-15-20(16-14-19)22-10-5-6-17-30-22;1-19-17-29-28-32(2)27(35)24-25(30-23-11-7-4-8-12-23)33(31-26(24)34(19)28)18-20-13-15-22(16-14-20)21-9-5-3-6-10-21;1-16-11-13-17(14-12-16)15-30-22(26-18-7-4-3-5-8-18)21-23(28-30)31-20-10-6-9-19(20)27-25(31)29(2)24(21)32/h4-17,20,25,31H,18-19H2,1-3H3;2-6,8-10,13-17,23-24H,7,11-12,18H2,1H3,(H,31,33);3-16,19,30H,17-18H2,1-2H3;3-5,7-8,11-14,19-20,26H,6,9-10,15H2,1-2H3/t25-;23-,24+;19-;19-,20+/m0111/s1
InChIKeyBGXBXMOVGQOHBM-CVHWNQQBSA-N
XLogP19.71
TPSA275.93 Ų
H-Bond Donors4
H-Bond Acceptors25
Rotatable Bonds20
Heavy Atoms141
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001869.27
LogP ≤ 519.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1025

Analyze (12R)-5-anilino-8,12-dimethyl-4-[(4-phenylphenyl)methyl]-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one;(11R,15S)-5-anilino-8-methyl-4-[(4-methylphenyl)methyl]-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R)-5-anilino-8-methyl-4-[(4-phenylphenyl)methyl]-11-propan-2-yl-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one;(11R,15S)-5-anilino-8-methyl-3-[(4-pyridin-2-ylphenyl)methyl]-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2(6),4,9-trien-7-one with MolForge

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Launch Full Analysis

Related Compounds

(11R,15S)-5-anilino-8-methyl-4-[(4-pyridin-2-ylphenyl)methyl]-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one
CID 11988837
(11R,15S)-5-anilino-4-[[4-(5-fluoro-2-pyridinyl)phenyl]methyl]-8-methyl-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one
CID 42639959
(11R,15S)-5-anilino-4-[[4-(3-fluoro-2-pyridinyl)phenyl]methyl]-8-methyl-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one
CID 42640117
(11R,15S)-5-anilino-4-[[4-(4-fluoro-2-pyridinyl)phenyl]methyl]-8-methyl-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one
CID 42640266
(11S,15R)-5-anilino-8-methyl-4-[(4-pyridin-2-ylphenyl)methyl]-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one
CID 127027178
(11R,15S)-4-[[4-(6-fluoro-2-pyridinyl)phenyl]methyl]-8-methyl-5-(pyridin-4-ylamino)-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one
CID 127027474
(11R,15S)-5-anilino-3-[[4-(5-fluoro-2-pyridinyl)phenyl]methyl]-8-methyl-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2(6),4,9-trien-7-one
CID 42639960
(11R,15S)-5-anilino-8-methyl-4-[[4-[5-(trifluoromethyl)pyridin-2-yl]phenyl]methyl]-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one
CID 42640115
(11R,15S)-5-anilino-8-methyl-3-[[4-[5-(trifluoromethyl)pyridin-2-yl]phenyl]methyl]-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2(6),4,9-trien-7-one
CID 42640116
(11R,15S)-5-anilino-3-[[4-(3-fluoro-2-pyridinyl)phenyl]methyl]-8-methyl-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2(6),4,9-trien-7-one
CID 42640118
(11R,15S)-5-anilino-3-[[4-(4-fluoro-2-pyridinyl)phenyl]methyl]-8-methyl-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2(6),4,9-trien-7-one
CID 42640267
(11R,15S)-5-anilino-4-[[4-[5-(1,1-difluoroethyl)-2-pyridinyl]phenyl]methyl]-8-methyl-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one
CID 68062272

Frequently Asked Questions

What is the IUPAC name of (12R)-5-anilino-8,12-dimethyl-4-[(4-phenylphenyl)methyl]-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one;(11R,15S)-5-anilino-8-methyl-4-[(4-methylphenyl)methyl]-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R)-5-anilino-8-methyl-4-[(4-phenylphenyl)methyl]-11-propan-2-yl-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one;(11R,15S)-5-anilino-8-methyl-3-[(4-pyridin-2-ylphenyl)methyl]-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2(6),4,9-trien-7-one?
The IUPAC name of (12R)-5-anilino-8,12-dimethyl-4-[(4-phenylphenyl)methyl]-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one;(11R,15S)-5-anilino-8-methyl-4-[(4-methylphenyl)methyl]-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R)-5-anilino-8-methyl-4-[(4-phenylphenyl)methyl]-11-propan-2-yl-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one;(11R,15S)-5-anilino-8-methyl-3-[(4-pyridin-2-ylphenyl)methyl]-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2(6),4,9-trien-7-one (CID 157345391) is (12R)-5-anilino-8,12-dimethyl-4-[(4-phenylphenyl)methyl]-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one;(11R,15S)-5-anilino-8-methyl-4-[(4-methylphenyl)methyl]-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R)-5-anilino-8-methyl-4-[(4-phenylphenyl)methyl]-11-propan-2-yl-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one;(11R,15S)-5-anilino-8-methyl-3-[(4-pyridin-2-ylphenyl)methyl]-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2(6),4,9-trien-7-one.
What is the SMILES notation for (12R)-5-anilino-8,12-dimethyl-4-[(4-phenylphenyl)methyl]-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one;(11R,15S)-5-anilino-8-methyl-4-[(4-methylphenyl)methyl]-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R)-5-anilino-8-methyl-4-[(4-phenylphenyl)methyl]-11-propan-2-yl-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one;(11R,15S)-5-anilino-8-methyl-3-[(4-pyridin-2-ylphenyl)methyl]-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2(6),4,9-trien-7-one?
The canonical SMILES for (12R)-5-anilino-8,12-dimethyl-4-[(4-phenylphenyl)methyl]-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one;(11R,15S)-5-anilino-8-methyl-4-[(4-methylphenyl)methyl]-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R)-5-anilino-8-methyl-4-[(4-phenylphenyl)methyl]-11-propan-2-yl-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one;(11R,15S)-5-anilino-8-methyl-3-[(4-pyridin-2-ylphenyl)methyl]-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2(6),4,9-trien-7-one is CC(C)[C@@H]1CN2C(=N1)N(C)C(=O)c1c2nn(Cc2ccc(-c3ccccc3)cc2)c1Nc1ccccc1.CN1C(=O)c2c(Nc3ccccc3)nn(Cc3ccc(-c4ccccn4)cc3)c2N2C1=N[C@@H]1CCC[C@@H]12.C[C@@H]1CN=C2N(C)C(=O)c3c(nn(Cc4ccc(-c5ccccc5)cc4)c3Nc3ccccc3)N21.Cc1ccc(Cn2nc3c(c2Nc2ccccc2)C(=O)N(C)C2=N[C@@H]4CCC[C@@H]4N23)cc1.
What is the InChIKey of (12R)-5-anilino-8,12-dimethyl-4-[(4-phenylphenyl)methyl]-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one;(11R,15S)-5-anilino-8-methyl-4-[(4-methylphenyl)methyl]-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R)-5-anilino-8-methyl-4-[(4-phenylphenyl)methyl]-11-propan-2-yl-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one;(11R,15S)-5-anilino-8-methyl-3-[(4-pyridin-2-ylphenyl)methyl]-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2(6),4,9-trien-7-one?
The InChIKey is BGXBXMOVGQOHBM-CVHWNQQBSA-N. The full InChI is InChI=1S/C30H30N6O.C29H27N7O.C28H26N6O.C25H26N6O/c1-20(2)25-19-35-28-26(29(37)34(3)30(35)32-25)27(31-24-12-8-5-9-13-24)36(33-28)18-21-14-16-23(17-15-21)22-10-6-4-7-11-22;1-34-28(37)25-26(31-21-8-3-2-4-9-21)33-35(27(25)36-24-12-7-11-23(24)32-29(34)36)18-19-13-15-20(16-14-19)22-10-5-6-17-30-22;1-19-17-29-28-32(2)27(35)24-25(30-23-11-7-4-8-12-23)33(31-26(24)34(19)28)18-20-13-15-22(16-14-20)21-9-5-3-6-10-21;1-16-11-13-17(14-12-16)15-30-22(26-18-7-4-3-5-8-18)21-23(28-30)31-20-10-6-9-19(20)27-25(31)29(2)24(21)32/h4-17,20,25,31H,18-19H2,1-3H3;2-6,8-10,13-17,23-24H,7,11-12,18H2,1H3,(H,31,33);3-16,19,30H,17-18H2,1-2H3;3-5,7-8,11-14,19-20,26H,6,9-10,15H2,1-2H3/t25-;23-,24+;19-;19-,20+/m0111/s1.
What are the key properties of (12R)-5-anilino-8,12-dimethyl-4-[(4-phenylphenyl)methyl]-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one;(11R,15S)-5-anilino-8-methyl-4-[(4-methylphenyl)methyl]-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R)-5-anilino-8-methyl-4-[(4-phenylphenyl)methyl]-11-propan-2-yl-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one;(11R,15S)-5-anilino-8-methyl-3-[(4-pyridin-2-ylphenyl)methyl]-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2(6),4,9-trien-7-one?
(12R)-5-anilino-8,12-dimethyl-4-[(4-phenylphenyl)methyl]-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one;(11R,15S)-5-anilino-8-methyl-4-[(4-methylphenyl)methyl]-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R)-5-anilino-8-methyl-4-[(4-phenylphenyl)methyl]-11-propan-2-yl-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one;(11R,15S)-5-anilino-8-methyl-3-[(4-pyridin-2-ylphenyl)methyl]-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2(6),4,9-trien-7-one has a molecular weight of 1869.27 g/mol, XLogP of 19.71, 20 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for (12R)-5-anilino-8,12-dimethyl-4-[(4-phenylphenyl)methyl]-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one;(11R,15S)-5-anilino-8-methyl-4-[(4-methylphenyl)methyl]-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R)-5-anilino-8-methyl-4-[(4-phenylphenyl)methyl]-11-propan-2-yl-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one;(11R,15S)-5-anilino-8-methyl-3-[(4-pyridin-2-ylphenyl)methyl]-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2(6),4,9-trien-7-one is sourced from PubChem (CID 157345391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).