General Information of the Compound
| Compound ID |
CP0494501
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| Compound Name |
CHEMBL4082303
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| Formula |
C30H39ClN6O
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| Molecular Weight |
535.136
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| Canonical SMILES |
CC(C)Nc1nc(N[C@H]2CC[C@@H](CC2)NC(=O)C2CCCN(C)C2)c2cc(ccc2n1)-c1cccc(Cl)c1
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| InChI |
InChI=1S/C30H39ClN6O/c1-19(2)32-30-35-27-14-9-21(20-6-4-8-23(31)16-20)17-26(27)28(36-30)33-24-10-12-25(13-11-24)34-29(38)22-7-5-15-37(3)18-22/h4,6,8-9,14,16-17,19,22,24-25H,5,7,10-13,15,18H2,1-3H3,(H,34,38)(H2,32,33,35,36)/t22?,24-,25-
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| InChIKey |
GRTAXCNDKMKEAY-XKGKZCFJSA-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