General Information of the Compound
| Compound ID |
CP0442512
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| Compound Name |
US9000182, 7, isomer 1
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| Formula |
C24H29N3O
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| Molecular Weight |
375.516
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| Canonical SMILES |
CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@]22N=C(C)C(N)=N2)C#CC2CCC2)CC1
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| InChI |
InChI=1S/C24H29N3O/c1-16-22(25)27-24(26-16)21-14-18(7-6-17-4-3-5-17)8-9-19(21)15-23(24)12-10-20(28-2)11-13-23/h8-9,14,17,20H,3-5,10-13,15H2,1-2H3,(H2,25,27)/t20-,23-,24-/m1/s1
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| InChIKey |
HZHGVFUZMFVSNM-AGILITTLSA-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