General Information of the Compound
| Compound ID |
CP0901797
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| Compound Name |
(5aR,5bS,7aS,10bR)-8-(1H-imidazol-1-yl)-3,5a,7a-trimethyl-4,5,5a,5b,6,7,7a,10b,11,12-decahydrocyclopenta[5,6]naphtho[1,2-d]azepin-2(3H)-one
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| Structure |
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| Formula |
C23H29N3O
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| Molecular Weight |
363.505
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| Canonical SMILES |
CN1CC[C@@]2(C)C(=CC1=O)CC[C@H]1C3=CC=C(n4ccnc4)[C@@]3(C)CC[C@@H]12
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| InChI |
InChI=1S/C23H29N3O/c1-22-10-12-25(3)21(27)14-16(22)4-5-17-18-6-7-20(26-13-11-24-15-26)23(18,2)9-8-19(17)22/h6-7,11,13-15,17,19H,4-5,8-10,12H2,1-3H3/t17-,19-,22-,23-/m0/s1
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| InChIKey |
RCCPQAGENZTWKC-UJFGGOPNSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound