General Information of the Compound
| Compound ID |
CP0540314
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| Compound Name |
CHEMBL42437
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| Formula |
C31H34FN3O2
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| Molecular Weight |
499.63
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| Canonical SMILES |
Fc1ccc2C(Cc3cccnc3)C(CCc2c1)NC(=O)[C@H]1CC[C@H](CNC(=O)c2ccccc2)CC1
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| InChI |
InChI=1S/C31H34FN3O2/c32-26-13-14-27-25(18-26)12-15-29(28(27)17-22-5-4-16-33-19-22)35-31(37)24-10-8-21(9-11-24)20-34-30(36)23-6-2-1-3-7-23/h1-7,13-14,16,18-19,21,24,28-29H,8-12,15,17,20H2,(H,34,36)(H,35,37)/t21-,24-,28?,29?
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| InChIKey |
AFXVPYLBMPCKFW-URPWMHSRSA-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