General Information of the Compound
| Compound ID |
CP0199081
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| Compound Name |
CHEMBL3037917
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| Formula |
C32H35N7O
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| Molecular Weight |
533.68
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| Canonical SMILES |
CCOc1cc(nc2cc(ccc12)-c1nc([C@@H]2C[C@@H](C2)N2CCN(C)CC2)n2ccnc(N)c12)-c1ccccc1
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| InChI |
InChI=1S/C32H35N7O/c1-3-40-28-20-26(21-7-5-4-6-8-21)35-27-19-22(9-10-25(27)28)29-30-31(33)34-11-12-39(30)32(36-29)23-17-24(18-23)38-15-13-37(2)14-16-38/h4-12,19-20,23-24H,3,13-18H2,1-2H3,(H2,33,34)/t23-,24+
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| InChIKey |
CXNWYGLTYOTVMX-PSWAGMNNSA-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