General Information of the Compound
| Compound ID |
CP0180230
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| Compound Name |
(6S)-6-amino-18-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,8,13,15,21-pentazatricyclo[12.5.2.017,20]henicosa-14,16,18,20-tetraen-7-one
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| Structure |
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| Formula |
C28H40N8O
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| Molecular Weight |
504.683
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| Canonical SMILES |
CN1CCN(Cc2ccc(cc2)-c2cn3CCCC[C@H](N)C(=O)NCCCCNc4ncc2c3n4)CC1
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| InChI |
InChI=1S/C28H40N8O/c1-34-14-16-35(17-15-34)19-21-7-9-22(10-8-21)24-20-36-13-5-2-6-25(29)27(37)30-11-3-4-12-31-28-32-18-23(24)26(36)33-28/h7-10,18,20,25H,2-6,11-17,19,29H2,1H3,(H,30,37)(H,31,32,33)/t25-/m0/s1
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| InChIKey |
UENPHVZMJZONSS-VWLOTQADSA-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