General Information of the Compound
| Compound ID |
CP0847245
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| Compound Name |
(5aS,5bS,7aS,10aS,10bR)-5a,7a,12-trimethyl-8-(pyridin-3-yl)-3,4,5,5a,5b,6,7,7a,10,10a,11,12-dodecahydrocyclopenta[5,6]naphtho[1,2-d]azepin-2(10bH)-one
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| Structure |
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| Formula |
C25H32N2O
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| Molecular Weight |
376.544
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| Canonical SMILES |
CC1C[C@@H]2[C@H](CC[C@]3(C)C(c4ccncc4)=CC[C@@H]23)[C@@]2(C)CCNC(=O)C=C12
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| InChI |
InChI=1S/C25H32N2O/c1-16-14-18-20-5-4-19(17-7-11-26-12-8-17)24(20,2)9-6-21(18)25(3)10-13-27-23(28)15-22(16)25/h4,7-8,11-12,15-16,18,20-21H,5-6,9-10,13-14H2,1-3H3,(H,27,28)/t16?,18-,20-,21-,24+,25+/m0/s1
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| InChIKey |
NWPAPVMBAZWICW-DLYNBCAFSA-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