(11R,16S)-5-anilino-3-[(4-benzoylphenyl)methyl]-8-methyl-1,3,4,8,10-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-2(6),4,9-trien-7-one;5-anilino-8,11,11-trimethyl-3-[(4-phenylphenyl)methyl]-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2(6),4,9-trien-7-one;5-anilino-8,11,11-trimethyl-3-[[4-(1,3-thiazol-4-yl)phenyl]methyl]-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2(6),4,9-trien-7-one;5-benzyl-8,11,11-trimethyl-4-[(4-phenylphenyl)methyl]-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one;8,11,11-trimethyl-4-[(4-phenylphenyl)methyl]-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one

C140H135N29O6S — CID 158593480

IUPAC(11R,16S)-5-anilino-3-[(4-benzoylphenyl)methyl]-8-methyl-1,3,4,8,10-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-2(6),4,9-trien-7-one;5-anilino-8,11,11-trimethyl-3-[(4-phenylphenyl)methyl]-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2(6),4,9-trien-7-one;5-anilino-8,11,11-trimethyl-3-[[4-(1,3-thiazol-4-yl)phenyl]methyl]-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2(6),4,9-trien-7-one;5-benzyl-8,11,11-trimethyl-4-[(4-phenylphenyl)methyl]-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one;8,11,11-trimethyl-4-[(4-phenylphenyl)methyl]-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one
SMILESCN1C(=O)c2c(Nc3ccccc3)nn(Cc3ccc(-c4ccccc4)cc3)c2N2CC(C)(C)N=C12.CN1C(=O)c2c(Nc3ccccc3)nn(Cc3ccc(-c4cscn4)cc3)c2N2CC(C)(C)N=C12.CN1C(=O)c2c(Nc3ccccc3)nn(Cc3ccc(C(=O)c4ccccc4)cc3)c2N2C1=N[C@@H]1CCCC[C@@H]12.CN1C(=O)c2c(nn(Cc3ccc(-c4ccccc4)cc3)c2Cc2ccccc2)N2CC(C)(C)N=C12.CN1C(=O)c2cn(Cc3ccc(-c4ccccc4)cc3)nc2N2CC(C)(C)N=C12
InChIInChI=1S/C32H30N6O2.C30H29N5O.C29H28N6O.C26H25N7OS.C23H23N5O/c1-36-31(40)27-29(33-24-12-6-3-7-13-24)35-37(30(27)38-26-15-9-8-14-25(26)34-32(36)38)20-21-16-18-23(19-17-21)28(39)22-10-4-2-5-11-22;1-30(2)20-34-27-26(28(36)33(3)29(34)31-30)25(18-21-10-6-4-7-11-21)35(32-27)19-22-14-16-24(17-15-22)23-12-8-5-9-13-23;1-29(2)19-34-26-24(27(36)33(3)28(34)31-29)25(30-23-12-8-5-9-13-23)32-35(26)18-20-14-16-22(17-15-20)21-10-6-4-7-11-21;1-26(2)15-32-23-21(24(34)31(3)25(32)29-26)22(28-19-7-5-4-6-8-19)30-33(23)13-17-9-11-18(12-10-17)20-14-35-16-27-20;1-23(2)15-28-20-19(21(29)26(3)22(28)24-23)14-27(25-20)13-16-9-11-18(12-10-16)17-7-5-4-6-8-17/h2-7,10-13,16-19,25-26H,8-9,14-15,20H2,1H3,(H,33,35);4-17H,18-20H2,1-3H3;4-17H,18-19H2,1-3H3,(H,30,32);4-12,14,16H,13,15H2,1-3H3,(H,28,30);4-12,14H,13,15H2,1-3H3/t25-,26+;;;;/m1..../s1
InChIKeyHUSQHZXZJFCVDW-HCZWSYAISA-N
MW2351.88 g/mol
LogP24.57
Rot. Bonds24

About (11R,16S)-5-anilino-3-[(4-benzoylphenyl)methyl]-8-methyl-1,3,4,8,10-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-2(6),4,9-trien-7-one;5-anilino-8,11,11-trimethyl-3-[(4-phenylphenyl)methyl]-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2(6),4,9-trien-7-one;5-anilino-8,11,11-trimethyl-3-[[4-(1,3-thiazol-4-yl)phenyl]methyl]-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2(6),4,9-trien-7-one;5-benzyl-8,11,11-trimethyl-4-[(4-phenylphenyl)methyl]-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one;8,11,11-trimethyl-4-[(4-phenylphenyl)methyl]-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one

(11R,16S)-5-anilino-3-[(4-benzoylphenyl)methyl]-8-methyl-1,3,4,8,10-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-2(6),4,9-trien-7-one;5-anilino-8,11,11-trimethyl-3-[(4-phenylphenyl)methyl]-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2(6),4,9-trien-7-one;5-anilino-8,11,11-trimethyl-3-[[4-(1,3-thiazol-4-yl)phenyl]methyl]-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2(6),4,9-trien-7-one;5-benzyl-8,11,11-trimethyl-4-[(4-phenylphenyl)methyl]-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one;8,11,11-trimethyl-4-[(4-phenylphenyl)methyl]-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one (PubChem CID 158593480) has the molecular formula C140H135N29O6S and a molecular weight of 2351.88 g/mol. Its IUPAC name is (11R,16S)-5-anilino-3-[(4-benzoylphenyl)methyl]-8-methyl-1,3,4,8,10-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-2(6),4,9-trien-7-one;5-anilino-8,11,11-trimethyl-3-[(4-phenylphenyl)methyl]-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2(6),4,9-trien-7-one;5-anilino-8,11,11-trimethyl-3-[[4-(1,3-thiazol-4-yl)phenyl]methyl]-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2(6),4,9-trien-7-one;5-benzyl-8,11,11-trimethyl-4-[(4-phenylphenyl)methyl]-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one;8,11,11-trimethyl-4-[(4-phenylphenyl)methyl]-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one.

Molecular Properties

Compound Name(11R,16S)-5-anilino-3-[(4-benzoylphenyl)methyl]-8-methyl-1,3,4,8,10-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-2(6),4,9-trien-7-one;5-anilino-8,11,11-trimethyl-3-[(4-phenylphenyl)methyl]-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2(6),4,9-trien-7-one;5-anilino-8,11,11-trimethyl-3-[[4-(1,3-thiazol-4-yl)phenyl]methyl]-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2(6),4,9-trien-7-one;5-benzyl-8,11,11-trimethyl-4-[(4-phenylphenyl)methyl]-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one;8,11,11-trimethyl-4-[(4-phenylphenyl)methyl]-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one
PubChem CID158593480
Molecular FormulaC140H135N29O6S
Molecular Weight2351.88 g/mol
Exact Mass2350.09
IUPAC Name(11R,16S)-5-anilino-3-[(4-benzoylphenyl)methyl]-8-methyl-1,3,4,8,10-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-2(6),4,9-trien-7-one;5-anilino-8,11,11-trimethyl-3-[(4-phenylphenyl)methyl]-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2(6),4,9-trien-7-one;5-anilino-8,11,11-trimethyl-3-[[4-(1,3-thiazol-4-yl)phenyl]methyl]-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2(6),4,9-trien-7-one;5-benzyl-8,11,11-trimethyl-4-[(4-phenylphenyl)methyl]-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one;8,11,11-trimethyl-4-[(4-phenylphenyl)methyl]-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one
SMILESCN1C(=O)c2c(Nc3ccccc3)nn(Cc3ccc(-c4ccccc4)cc3)c2N2CC(C)(C)N=C12.CN1C(=O)c2c(Nc3ccccc3)nn(Cc3ccc(-c4cscn4)cc3)c2N2CC(C)(C)N=C12.CN1C(=O)c2c(Nc3ccccc3)nn(Cc3ccc(C(=O)c4ccccc4)cc3)c2N2C1=N[C@@H]1CCCC[C@@H]12.CN1C(=O)c2c(nn(Cc3ccc(-c4ccccc4)cc3)c2Cc2ccccc2)N2CC(C)(C)N=C12.CN1C(=O)c2cn(Cc3ccc(-c4ccccc4)cc3)nc2N2CC(C)(C)N=C12
InChIInChI=1S/C32H30N6O2.C30H29N5O.C29H28N6O.C26H25N7OS.C23H23N5O/c1-36-31(40)27-29(33-24-12-6-3-7-13-24)35-37(30(27)38-26-15-9-8-14-25(26)34-32(36)38)20-21-16-18-23(19-17-21)28(39)22-10-4-2-5-11-22;1-30(2)20-34-27-26(28(36)33(3)29(34)31-30)25(18-21-10-6-4-7-11-21)35(32-27)19-22-14-16-24(17-15-22)23-12-8-5-9-13-23;1-29(2)19-34-26-24(27(36)33(3)28(34)31-29)25(30-23-12-8-5-9-13-23)32-35(26)18-20-14-16-22(17-15-20)21-10-6-4-7-11-21;1-26(2)15-32-23-21(24(34)31(3)25(32)29-26)22(28-19-7-5-4-6-8-19)30-33(23)13-17-9-11-18(12-10-17)20-14-35-16-27-20;1-23(2)15-28-20-19(21(29)26(3)22(28)24-23)14-27(25-20)13-16-9-11-18(12-10-16)17-7-5-4-6-8-17/h2-7,10-13,16-19,25-26H,8-9,14-15,20H2,1H3,(H,33,35);4-17H,18-20H2,1-3H3;4-17H,18-19H2,1-3H3,(H,30,32);4-12,14,16H,13,15H2,1-3H3,(H,28,30);4-12,14H,13,15H2,1-3H3/t25-,26+;;;;/m1..../s1
InChIKeyHUSQHZXZJFCVDW-HCZWSYAISA-N
XLogP24.57
TPSA334.70 Ų
H-Bond Donors3
H-Bond Acceptors31
Rotatable Bonds24
Heavy Atoms176
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002351.88
LogP ≤ 524.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1031

Analyze (11R,16S)-5-anilino-3-[(4-benzoylphenyl)methyl]-8-methyl-1,3,4,8,10-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-2(6),4,9-trien-7-one;5-anilino-8,11,11-trimethyl-3-[(4-phenylphenyl)methyl]-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2(6),4,9-trien-7-one;5-anilino-8,11,11-trimethyl-3-[[4-(1,3-thiazol-4-yl)phenyl]methyl]-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2(6),4,9-trien-7-one;5-benzyl-8,11,11-trimethyl-4-[(4-phenylphenyl)methyl]-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one;8,11,11-trimethyl-4-[(4-phenylphenyl)methyl]-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (11R,16S)-5-anilino-3-[(4-benzoylphenyl)methyl]-8-methyl-1,3,4,8,10-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-2(6),4,9-trien-7-one;5-anilino-8,11,11-trimethyl-3-[(4-phenylphenyl)methyl]-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2(6),4,9-trien-7-one;5-anilino-8,11,11-trimethyl-3-[[4-(1,3-thiazol-4-yl)phenyl]methyl]-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2(6),4,9-trien-7-one;5-benzyl-8,11,11-trimethyl-4-[(4-phenylphenyl)methyl]-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one;8,11,11-trimethyl-4-[(4-phenylphenyl)methyl]-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one?
The IUPAC name of (11R,16S)-5-anilino-3-[(4-benzoylphenyl)methyl]-8-methyl-1,3,4,8,10-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-2(6),4,9-trien-7-one;5-anilino-8,11,11-trimethyl-3-[(4-phenylphenyl)methyl]-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2(6),4,9-trien-7-one;5-anilino-8,11,11-trimethyl-3-[[4-(1,3-thiazol-4-yl)phenyl]methyl]-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2(6),4,9-trien-7-one;5-benzyl-8,11,11-trimethyl-4-[(4-phenylphenyl)methyl]-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one;8,11,11-trimethyl-4-[(4-phenylphenyl)methyl]-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one (CID 158593480) is (11R,16S)-5-anilino-3-[(4-benzoylphenyl)methyl]-8-methyl-1,3,4,8,10-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-2(6),4,9-trien-7-one;5-anilino-8,11,11-trimethyl-3-[(4-phenylphenyl)methyl]-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2(6),4,9-trien-7-one;5-anilino-8,11,11-trimethyl-3-[[4-(1,3-thiazol-4-yl)phenyl]methyl]-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2(6),4,9-trien-7-one;5-benzyl-8,11,11-trimethyl-4-[(4-phenylphenyl)methyl]-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one;8,11,11-trimethyl-4-[(4-phenylphenyl)methyl]-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one.
What is the SMILES notation for (11R,16S)-5-anilino-3-[(4-benzoylphenyl)methyl]-8-methyl-1,3,4,8,10-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-2(6),4,9-trien-7-one;5-anilino-8,11,11-trimethyl-3-[(4-phenylphenyl)methyl]-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2(6),4,9-trien-7-one;5-anilino-8,11,11-trimethyl-3-[[4-(1,3-thiazol-4-yl)phenyl]methyl]-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2(6),4,9-trien-7-one;5-benzyl-8,11,11-trimethyl-4-[(4-phenylphenyl)methyl]-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one;8,11,11-trimethyl-4-[(4-phenylphenyl)methyl]-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one?
The canonical SMILES for (11R,16S)-5-anilino-3-[(4-benzoylphenyl)methyl]-8-methyl-1,3,4,8,10-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-2(6),4,9-trien-7-one;5-anilino-8,11,11-trimethyl-3-[(4-phenylphenyl)methyl]-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2(6),4,9-trien-7-one;5-anilino-8,11,11-trimethyl-3-[[4-(1,3-thiazol-4-yl)phenyl]methyl]-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2(6),4,9-trien-7-one;5-benzyl-8,11,11-trimethyl-4-[(4-phenylphenyl)methyl]-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one;8,11,11-trimethyl-4-[(4-phenylphenyl)methyl]-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one is CN1C(=O)c2c(Nc3ccccc3)nn(Cc3ccc(-c4ccccc4)cc3)c2N2CC(C)(C)N=C12.CN1C(=O)c2c(Nc3ccccc3)nn(Cc3ccc(-c4cscn4)cc3)c2N2CC(C)(C)N=C12.CN1C(=O)c2c(Nc3ccccc3)nn(Cc3ccc(C(=O)c4ccccc4)cc3)c2N2C1=N[C@@H]1CCCC[C@@H]12.CN1C(=O)c2c(nn(Cc3ccc(-c4ccccc4)cc3)c2Cc2ccccc2)N2CC(C)(C)N=C12.CN1C(=O)c2cn(Cc3ccc(-c4ccccc4)cc3)nc2N2CC(C)(C)N=C12.
What is the InChIKey of (11R,16S)-5-anilino-3-[(4-benzoylphenyl)methyl]-8-methyl-1,3,4,8,10-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-2(6),4,9-trien-7-one;5-anilino-8,11,11-trimethyl-3-[(4-phenylphenyl)methyl]-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2(6),4,9-trien-7-one;5-anilino-8,11,11-trimethyl-3-[[4-(1,3-thiazol-4-yl)phenyl]methyl]-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2(6),4,9-trien-7-one;5-benzyl-8,11,11-trimethyl-4-[(4-phenylphenyl)methyl]-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one;8,11,11-trimethyl-4-[(4-phenylphenyl)methyl]-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one?
The InChIKey is HUSQHZXZJFCVDW-HCZWSYAISA-N. The full InChI is InChI=1S/C32H30N6O2.C30H29N5O.C29H28N6O.C26H25N7OS.C23H23N5O/c1-36-31(40)27-29(33-24-12-6-3-7-13-24)35-37(30(27)38-26-15-9-8-14-25(26)34-32(36)38)20-21-16-18-23(19-17-21)28(39)22-10-4-2-5-11-22;1-30(2)20-34-27-26(28(36)33(3)29(34)31-30)25(18-21-10-6-4-7-11-21)35(32-27)19-22-14-16-24(17-15-22)23-12-8-5-9-13-23;1-29(2)19-34-26-24(27(36)33(3)28(34)31-29)25(30-23-12-8-5-9-13-23)32-35(26)18-20-14-16-22(17-15-20)21-10-6-4-7-11-21;1-26(2)15-32-23-21(24(34)31(3)25(32)29-26)22(28-19-7-5-4-6-8-19)30-33(23)13-17-9-11-18(12-10-17)20-14-35-16-27-20;1-23(2)15-28-20-19(21(29)26(3)22(28)24-23)14-27(25-20)13-16-9-11-18(12-10-16)17-7-5-4-6-8-17/h2-7,10-13,16-19,25-26H,8-9,14-15,20H2,1H3,(H,33,35);4-17H,18-20H2,1-3H3;4-17H,18-19H2,1-3H3,(H,30,32);4-12,14,16H,13,15H2,1-3H3,(H,28,30);4-12,14H,13,15H2,1-3H3/t25-,26+;;;;/m1..../s1.
What are the key properties of (11R,16S)-5-anilino-3-[(4-benzoylphenyl)methyl]-8-methyl-1,3,4,8,10-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-2(6),4,9-trien-7-one;5-anilino-8,11,11-trimethyl-3-[(4-phenylphenyl)methyl]-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2(6),4,9-trien-7-one;5-anilino-8,11,11-trimethyl-3-[[4-(1,3-thiazol-4-yl)phenyl]methyl]-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2(6),4,9-trien-7-one;5-benzyl-8,11,11-trimethyl-4-[(4-phenylphenyl)methyl]-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one;8,11,11-trimethyl-4-[(4-phenylphenyl)methyl]-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one?
(11R,16S)-5-anilino-3-[(4-benzoylphenyl)methyl]-8-methyl-1,3,4,8,10-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-2(6),4,9-trien-7-one;5-anilino-8,11,11-trimethyl-3-[(4-phenylphenyl)methyl]-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2(6),4,9-trien-7-one;5-anilino-8,11,11-trimethyl-3-[[4-(1,3-thiazol-4-yl)phenyl]methyl]-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2(6),4,9-trien-7-one;5-benzyl-8,11,11-trimethyl-4-[(4-phenylphenyl)methyl]-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one;8,11,11-trimethyl-4-[(4-phenylphenyl)methyl]-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one has a molecular weight of 2351.88 g/mol, XLogP of 24.57, 24 rotatable bonds, 3 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for (11R,16S)-5-anilino-3-[(4-benzoylphenyl)methyl]-8-methyl-1,3,4,8,10-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-2(6),4,9-trien-7-one;5-anilino-8,11,11-trimethyl-3-[(4-phenylphenyl)methyl]-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2(6),4,9-trien-7-one;5-anilino-8,11,11-trimethyl-3-[[4-(1,3-thiazol-4-yl)phenyl]methyl]-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2(6),4,9-trien-7-one;5-benzyl-8,11,11-trimethyl-4-[(4-phenylphenyl)methyl]-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one;8,11,11-trimethyl-4-[(4-phenylphenyl)methyl]-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one is sourced from PubChem (CID 158593480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).