General Information of the Compound
| Compound ID |
CP0198243
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| Compound Name |
(6S)-6-amino-20-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,8,15,17,23-pentazatricyclo[14.5.2.019,22]tricosa-16,18,20,22-tetraen-7-one
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| Structure |
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| Formula |
C30H44N8O
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| Molecular Weight |
532.737
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| Canonical SMILES |
CN1CCN(Cc2ccc(cc2)-c2cn3CCCC[C@H](N)C(=O)NCCCCCCNc4ncc2c3n4)CC1
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| InChI |
InChI=1S/C30H44N8O/c1-36-16-18-37(19-17-36)21-23-9-11-24(12-10-23)26-22-38-15-7-4-8-27(31)29(39)32-13-5-2-3-6-14-33-30-34-20-25(26)28(38)35-30/h9-12,20,22,27H,2-8,13-19,21,31H2,1H3,(H,32,39)(H,33,34,35)/t27-/m0/s1
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| InChIKey |
BPOGHKOSOWZBGZ-MHZLTWQESA-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