General Information of the Compound
| Compound ID |
CP0418711
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| Compound Name |
CHEMBL3401675
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| Formula |
C27H30ClN5O2
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| Molecular Weight |
492.023
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| Canonical SMILES |
O[C@@]12CC3CC(C1)[C@H](NC(=O)c1cccc(n1)N1CCN(CC1)c1ccc(cc1Cl)C#N)C(C3)C2
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| InChI |
InChI=1S/C27H30ClN5O2/c28-21-12-17(16-29)4-5-23(21)32-6-8-33(9-7-32)24-3-1-2-22(30-24)26(34)31-25-19-10-18-11-20(25)15-27(35,13-18)14-19/h1-5,12,18-20,25,35H,6-11,13-15H2,(H,31,34)/t18?,19?,20?,25-,27-
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| InChIKey |
CVJJQLKQRPNWMH-CUFZNKPVSA-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